1-(5-bromofuran-2-yl)sulfonylpyrrolidin-3-amine;hydrochloride

C8H12BrClN2O3S — CID 120708380

IUPAC1-(5-bromofuran-2-yl)sulfonylpyrrolidin-3-amine;hydrochloride
SMILESCl.NC1CCN(S(=O)(=O)c2ccc(Br)o2)C1
InChIInChI=1S/C8H11BrN2O3S.ClH/c9-7-1-2-8(14-7)15(12,13)11-4-3-6(10)5-11;/h1-2,6H,3-5,10H2;1H
InChIKeyIIZFCJMDGABCQR-UHFFFAOYSA-N
MW331.62 g/mol
LogP1.19
Rot. Bonds2

About 1-(5-bromofuran-2-yl)sulfonylpyrrolidin-3-amine;hydrochloride

1-(5-bromofuran-2-yl)sulfonylpyrrolidin-3-amine;hydrochloride (PubChem CID 120708380) has the molecular formula C8H12BrClN2O3S and a molecular weight of 331.62 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)sulfonylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)sulfonylpyrrolidin-3-amine;hydrochloride
PubChem CID120708380
Molecular FormulaC8H12BrClN2O3S
Molecular Weight331.62 g/mol
Exact Mass329.94
IUPAC Name1-(5-bromofuran-2-yl)sulfonylpyrrolidin-3-amine;hydrochloride
SMILESCl.NC1CCN(S(=O)(=O)c2ccc(Br)o2)C1
InChIInChI=1S/C8H11BrN2O3S.ClH/c9-7-1-2-8(14-7)15(12,13)11-4-3-6(10)5-11;/h1-2,6H,3-5,10H2;1H
InChIKeyIIZFCJMDGABCQR-UHFFFAOYSA-N
XLogP1.19
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.62
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromofuran-2-yl)sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120778987
1-(3-bromo-4-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 120708379
1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971606
(3R)-1-(4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962425
(3S)-1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-amine
CID 94340426
(3S)-1-(3-bromothiophen-2-yl)sulfonylpyrrolidin-3-amine
CID 115302272
(3S)-1-(2-bromo-4-fluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993532
1-(4-bromo-2-fluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 120708382
(3S)-1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993401
(3S)-1-(3-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993468
1-(3-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971605
1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 120708376

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)sulfonylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of 1-(5-bromofuran-2-yl)sulfonylpyrrolidin-3-amine;hydrochloride (CID 120708380) is 1-(5-bromofuran-2-yl)sulfonylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for 1-(5-bromofuran-2-yl)sulfonylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for 1-(5-bromofuran-2-yl)sulfonylpyrrolidin-3-amine;hydrochloride is Cl.NC1CCN(S(=O)(=O)c2ccc(Br)o2)C1.
What is the InChIKey of 1-(5-bromofuran-2-yl)sulfonylpyrrolidin-3-amine;hydrochloride?
The InChIKey is IIZFCJMDGABCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O3S.ClH/c9-7-1-2-8(14-7)15(12,13)11-4-3-6(10)5-11;/h1-2,6H,3-5,10H2;1H.
What are the key properties of 1-(5-bromofuran-2-yl)sulfonylpyrrolidin-3-amine;hydrochloride?
1-(5-bromofuran-2-yl)sulfonylpyrrolidin-3-amine;hydrochloride has a molecular weight of 331.62 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)sulfonylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 120708380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).